HMDB0244645 RDKit 3D 2-Methoxy-4-(2-(methylamino)propyl)phenyl beta-D-glucopyranosiduronic acid 51 52 0 0 0 0 0 0 0 0999 V2000 -6.5002 1.2083 -0.7567 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0901 0.0716 0.0026 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6818 -0.0716 0.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1938 1.1274 0.9814 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9310 -0.1769 -1.1148 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4868 -0.3235 -0.8495 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7006 0.8021 -0.7519 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3376 0.6829 -0.5037 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2267 -0.5618 -0.3551 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5549 -0.7340 -0.1111 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5686 0.2163 0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5479 -0.0882 -0.9017 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7149 0.6312 -0.7383 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5833 2.0371 -1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5522 2.8237 -1.1167 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3973 2.5251 -1.7248 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3162 0.5211 0.6258 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6903 -0.8073 0.8421 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3258 0.8918 1.6812 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8626 0.5240 2.9168 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0797 0.0966 1.4537 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2793 -1.2440 1.7357 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5537 -1.7228 -0.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0505 -2.9542 -0.2952 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6497 -4.1584 -0.3745 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8951 -1.5573 -0.6964 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0562 0.8427 -1.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6673 1.8477 -1.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1990 1.8174 -0.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5583 0.0478 0.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4960 -0.9775 0.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2021 0.9477 1.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8924 1.2836 1.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2199 2.0565 0.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2699 -1.1107 -1.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1221 0.6612 -1.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1014 1.7994 -0.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2435 1.5948 -0.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1524 1.2195 -0.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4607 0.1632 -1.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3301 3.3652 -2.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1825 1.2073 0.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6762 -0.8829 1.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0826 1.9615 1.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1799 -0.4307 2.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2892 0.4628 2.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5377 -1.7205 0.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2848 -4.1755 -1.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0244 -5.0261 -0.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3182 -4.2539 0.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5011 -2.4601 -0.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 3 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 13 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 9 23 1 0 23 24 1 0 24 25 1 0 23 26 2 0 26 6 1 0 21 11 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 7 37 1 0 8 38 1 0 11 39 1 0 13 40 1 0 16 41 1 0 17 42 1 0 18 43 1 0 19 44 1 0 20 45 1 0 21 46 1 0 22 47 1 0 25 48 1 0 25 49 1 0 25 50 1 0 26 51 1 0 M END